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. 2022 Sep 12;18(10):5936–5947. doi: 10.1021/acs.jctc.2c00352

Table 4. Dipole Moments (in Debye) for Some Selected Systems Calculated Using Self-Consistent Densitiesa.

          MAE
 
method H2O HF HCl H2S CCSD(T) exp. CO
OEPx 2.043 1.954 1.279 1.171 0.121 0.180 –0.265
GL2 1.616 1.531 1.061 1.004 0.187 0.145 1.703
SPL 1.758 1.654 1.085 1.024 0.110 0.080 0.940
ISI 1.809 1.699 1.093 1.030 0.083 0.060 0.692
OEP2-sc 1.885 1.786 1.185 1.094 0.018 0.073 0.355
CCSD(T) 1.904 1.809 1.170 1.079   0.065 0.153
Exp. 1.855 1.820 1.080 0.970     0.122
a

Experimental data are taken from ref (82). The MAE of H2O, HF, HCl, and H2S with respect to CCSD(T) and experimental results is also reported.